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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlO2 by Materials Project

AlO2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two AlO2 sheets oriented in the (0, 0, 1) direction. Al is bonded to four O atoms to form corner-sharing AlO4 trigonal pyramids. There is three shorter (1.79 Å) and one longer (1.87 Å) Al–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Al atoms. In the second O site, O is bonded in a single-bond geometry to one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlO2 by Materials Project

AlO2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two AlO2 sheets oriented in the (0, 1, 0) direction. Al is bonded to six O atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are a spread of Al–O bond distances ranging from 1.87–2.02 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Al atoms to form a mixture of edge and corner-sharing OAl4 trigonal pyramids. In the second O site, O is bonded in a water-like geometry to two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlO2 by Materials Project

AlO2 is zeta iron carbide structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Al is bonded to six O atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Al–O bond distances ranging from 1.89–1.93 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Al atoms. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Al atoms.

36 MATERIALS SCIENCE↗